4-(5-chloranylthiophen-2-yl)carbonyl-6-oxidanyl-1-[2-(1-pyridin-4-ylazepan-4-yl)ethyl]-3,5-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-6-oxidanyl-1-[2-(1-pyridin-4-ylazepan-4-yl)ethyl]-3,5-dihydro-1,4-benzodiazepin-2-one Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-6-hydroxy-1-[2-[1-(4-pyridyl)azepan-4-yl]ethyl]-3,5-dihydro-1,4-benzodiazepin-2-one CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-6-hydroxy-1-[2-(1-pyridin-4-yl-4-azepanyl)ethyl]-3,5-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-6-hydroxy-1-[2-(1-pyridin-4-ylazepan-4-yl)ethyl]-3,5-dihydro-1,4-benzodiazepin-2-one Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-6-hydroxy-1-[2-[1-(4-pyridyl)azepan-4-yl]ethyl]-3,5-dihydro-1,4-benzodiazepin-2-one Formula: C27H29ClN4O3S MolecularWeight: 525.06216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C2=CC=NC=C2)CCN3C(=O)CN(CC4=C3C=CC=C4O)C(=O)C5=CC=C(S5)Cl

Isomeric SMILES

C1CC(CCN(C1)C2=CC=NC=C2)CCN3C(=O)CN(CC4=C3C=CC=C4O)C(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C27H29ClN4O3S/c28-25-7-6-24(36-25)27(35)31-17-21-22(4-1-5-23(21)33)32(26(34)18-31)16-11-19-3-2-14-30(15-10-19)20-8-12-29-13-9-20/h1,4-9,12-13,19,33H,2-3,10-11,14-18H2