2-[[2-(4-chlorophenyl)-2-oxidanyl-ethyl]amino]-N-(1-methyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: 2-[[2-(4-chlorophenyl)-2-oxidanyl-ethyl]amino]-N-(1-methyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-[[2-(4-chlorophenyl)-2-hydroxy-ethyl]amino]-N-[1-methyl-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-[1-methyl-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-N-(1-methyl-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-[[2-(4-chlorophenyl)-2-hydroxy-ethyl]amino]-N-[2-keto-1-methyl-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C26H26ClN5O3 MolecularWeight: 491.96934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)C)NCC(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)C)NCC(C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C26H26ClN5O3/c1-16(29-15-22(33)17-10-12-18(27)13-11-17)25(34)31-24-26(35)32(2)21-9-4-3-7-19(21)23(30-24)20-8-5-6-14-28-20/h3-14,16,22,24,29,33H,15H2,1-2H3,(H,31,34)