N-[2-[4-(7-methoxy-2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide

Systemtic Name: N-[2-[4-(7-methoxy-2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Openeye Name: N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidyl]-2-oxo-ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide CAS Name: N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]-2-oxoethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide IUPAC Name: N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Traditional Name: N-[2-keto-2-[4-(2-keto-7-methoxy-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidino]ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Formula: C28H35N5O4 MolecularWeight: 505.6086

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)C(=O)NCC(=O)N3CCC(CC3)N4CCC5=C(C=CC(=C5)OC)NC4=O

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)C(=O)NCC(=O)N3CCC(CC3)N4CCC5=C(C=CC(=C5)OC)NC4=O

InChI

InChI=1S/C28H35N5O4/c1-31-11-7-19-3-4-21(15-22(19)18-31)27(35)29-17-26(34)32-12-9-23(10-13-32)33-14-8-20-16-24(37-2)5-6-25(20)30-28(33)36/h3-6,15-16,23H,7-14,17-18H2,1-2H3,(H,29,35)(H,30,36)