N'-[1-(1-cyclohexylethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide

Systemtic Name: N'-[1-(1-cyclohexylethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[1-(1-cyclohexylethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[1-(1-cyclohexylethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-(1-cyclohexylethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(1-cyclohexylethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-succinamide Formula: C34H44N4O3 MolecularWeight: 556.73816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C(C)C4CCCCC4

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C(C)C4CCCCC4

InChI

InChI=1S/C34H44N4O3/c1-5-14-26(31(35)39)28(21-22(2)3)33(40)37-32-34(41)38(23(4)24-15-8-6-9-16-24)29-20-13-12-19-27(29)30(36-32)25-17-10-7-11-18-25/h5,7,10-13,17-20,22-24,26,28,32H,1,6,8-9,14-16,21H2,2-4H3,(H2,35,39)(H,37,40)