2-azanyl-N-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-phenyl-propanamide Openeye Name: 2-amino-N-[1-(2-cyclohexyl-2-oxo-ethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-phenyl-propanamide CAS Name: 2-amino-N-[1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-phenylpropanamide Traditional Name: 2-amino-N-[1-(2-cyclohexyl-2-keto-ethyl)-5-ethyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]-3-phenyl-propionamide Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)C3CCCCC3)NC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)C3CCCCC3)NC(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C29H36N4O3/c1-3-24-22-16-10-11-19(2)26(22)33(18-25(34)21-14-8-5-9-15-21)29(36)27(31-24)32-28(35)23(30)17-20-12-6-4-7-13-20/h4,6-7,10-13,16,21,23,27H,3,5,8-9,14-15,17-18,30H2,1-2H3,(H,32,35)