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

Systemtic Name: N'-[5-(1-cyclohexylethyl)-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[5-(1-cyclohexylethyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[5-(1-cyclohexylethyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[5-(1-cyclohexylethyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[5-(1-cyclohexylethyl)-4-keto-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-isobutyl-succinamide Formula: C34H46N4O3 MolecularWeight: 558.75404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CN(C2=CC=CC=C2N(C1=O)C(C)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CN(C2=CC=CC=C2N(C1=O)C(C)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C34H46N4O3/c1-5-14-27(32(35)39)28(21-23(2)3)33(40)36-29-22-37(26-17-10-7-11-18-26)30-19-12-13-20-31(30)38(34(29)41)24(4)25-15-8-6-9-16-25/h5,7,10-13,17-20,23-25,27-29H,1,6,8-9,14-16,21-22H2,2-4H3,(H2,35,39)(H,36,40)