N'-(1-methyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide

Systemtic Name: N'-(1-methyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-[1-methyl-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: N'-[1-methyl-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-(1-methyl-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-[2-keto-1-methyl-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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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=N3)C

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=N3)C

InChI

InChI=1S/C26H31N5O3/c1-5-10-17(23(27)32)19(15-16(2)3)25(33)30-24-26(34)31(4)21-13-7-6-11-18(21)22(29-24)20-12-8-9-14-28-20/h5-9,11-14,16-17,19,24H,1,10,15H2,2-4H3,(H2,27,32)(H,30,33)