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

Systemtic Name: N'-[5-(cyclohexylmethyl)-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-(cyclohexylmethyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[5-(cyclohexylmethyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[5-(cyclohexylmethyl)-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-(cyclohexylmethyl)-4-keto-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-isobutyl-succinamide Formula: C33H44N4O3 MolecularWeight: 544.72746

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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)CC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1CN(C2=CC=CC=C2N(C1=O)CC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C33H44N4O3/c1-4-13-26(31(34)38)27(20-23(2)3)32(39)35-28-22-36(25-16-9-6-10-17-25)29-18-11-12-19-30(29)37(33(28)40)21-24-14-7-5-8-15-24/h4,6,9-12,16-19,23-24,26-28H,1,5,7-8,13-15,20-22H2,2-3H3,(H2,34,38)(H,35,39)