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

Systemtic Name: N'-[1-(cyclobutylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[1-(cyclobutylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[1-(cyclobutylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-(cyclobutylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(cyclobutylmethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-succinamide Formula: C31H38N4O3 MolecularWeight: 514.65842

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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)CC4CCC4

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)CC4CCC4

InChI

InChI=1S/C31H38N4O3/c1-4-11-23(28(32)36)25(18-20(2)3)30(37)34-29-31(38)35(19-21-12-10-13-21)26-17-9-8-16-24(26)27(33-29)22-14-6-5-7-15-22/h4-9,14-17,20-21,23,25,29H,1,10-13,18-19H2,2-3H3,(H2,32,36)(H,34,37)