(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[4-[3-(4-methylpiperazin-1-yl)propyl]-2-oxidanylidene-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enamide

Systemtic Name: (E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[4-[3-(4-methylpiperazin-1-yl)propyl]-2-oxidanylidene-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enamide Openeye Name: (E)-N-methyl-N-[(3-methylbenzothiophen-2-yl)methyl]-3-[4-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enamide CAS Name: (E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[4-[3-(4-methyl-1-piperazinyl)propyl]-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]-2-propenamide IUPAC Name: (E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[4-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enamide Traditional Name: (E)-3-[2-keto-4-[3-(4-methylpiperazino)propyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]-N-methyl-N-[(3-methylbenzothiophen-2-yl)methyl]acrylamide Formula: C30H38N6O2S MolecularWeight: 546.72672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN(C)C(=O)C=CC3=CC4=C(NC(=O)CN(C4)CCCN5CCN(CC5)C)N=C3

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(NC(=O)CN(C4)CCCN5CCN(CC5)C)N=C3

InChI

InChI=1S/C30H38N6O2S/c1-22-25-7-4-5-8-26(25)39-27(22)20-34(3)29(38)10-9-23-17-24-19-36(21-28(37)32-30(24)31-18-23)12-6-11-35-15-13-33(2)14-16-35/h4-5,7-10,17-18H,6,11-16,19-21H2,1-3H3,(H,31,32,37)/b10-9+