2-[2-oxidanylidene-3-[[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]carbonylamino]-7-phenyl-azepan-1-yl]ethanoate

Systemtic Name: 2-[2-oxidanylidene-3-[[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]carbonylamino]-7-phenyl-azepan-1-yl]ethanoate Openeye Name: 2-[2-oxo-3-[[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]amino]-7-phenyl-azepan-1-yl]acetate CAS Name: 2-[2-oxo-3-[[oxo-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]methyl]amino]-7-phenyl-1-azepanyl]acetate IUPAC Name: 2-[2-oxo-3-[[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]amino]-7-phenylazepan-1-yl]acetate Traditional Name: 2-[2-keto-3-[[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]amino]-7-phenyl-azepan-1-yl]acetate Formula: C29H34N5O5- MolecularWeight: 532.61076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C(C1)C2=CC=CC=C2)CC(=O)[O-])NC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O

Isomeric SMILES

C1CC(C(=O)N(C(C1)C2=CC=CC=C2)CC(=O)[O-])NC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O

InChI

InChI=1S/C29H35N5O5/c35-26(36)19-34-25(21-8-2-1-3-9-21)12-6-11-24(27(34)37)31-28(38)32-16-14-22(15-17-32)33-18-13-20-7-4-5-10-23(20)30-29(33)39/h1-5,7-10,22,24-25H,6,11-19H2,(H,30,39)(H,31,38)(H,35,36)/p-1