N'-[5-(1-cyclopropylethyl)-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-cyclopropylethyl)-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-cyclopropylethyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[5-(1-cyclopropylethyl)-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[5-(1-cyclopropylethyl)-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-cyclopropylethyl)-4-keto-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-isobutyl-succinamide Formula: C31H40N4O3 MolecularWeight: 516.6743

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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)C3CC3)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)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C31H40N4O3/c1-5-11-24(29(32)36)25(18-20(2)3)30(37)33-26-19-34(23-12-7-6-8-13-23)27-14-9-10-15-28(27)35(31(26)38)21(4)22-16-17-22/h5-10,12-15,20-22,24-26H,1,11,16-19H2,2-4H3,(H2,32,36)(H,33,37)