1-(2,3-dihydro-1H-inden-5-yl)-3-[5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-indan-5-yl-3-[5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[5-(4-methyl-1-piperazinyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-indan-5-yl-3-[2-keto-5-(4-methylpiperazino)-1-propyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C27H34N6O2 MolecularWeight: 474.59786

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC4=C(CCC4)C=C3)N5CCN(CC5)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC4=C(CCC4)C=C3)N5CCN(CC5)C

InChI

InChI=1S/C27H34N6O2/c1-3-13-33-23-10-5-4-9-22(23)25(32-16-14-31(2)15-17-32)29-24(26(33)34)30-27(35)28-21-12-11-19-7-6-8-20(19)18-21/h4-5,9-12,18,24H,3,6-8,13-17H2,1-2H3,(H2,28,30,35)