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

Systemtic Name: N'-(1-methyl-2-oxidanylidene-5-pyridin-3-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-(3-pyridyl)-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: N'-[1-methyl-2-oxo-5-(3-pyridinyl)-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-(1-methyl-2-oxo-5-pyridin-3-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-(3-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=CN=CC=C3)C

Isomeric SMILES

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

InChI

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