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

Systemtic Name: N'-[5-(3-methoxyphenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-[5-(3-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: N'-[5-(3-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[5-(3-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-[2-keto-5-(3-methoxyphenyl)-1-methyl-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C28H34N4O4 MolecularWeight: 490.59396

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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)OC)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=C3)OC)C

InChI

InChI=1S/C28H34N4O4/c1-6-10-20(25(29)33)22(15-17(2)3)27(34)31-26-28(35)32(4)23-14-8-7-13-21(23)24(30-26)18-11-9-12-19(16-18)36-5/h6-9,11-14,16-17,20,22,26H,1,10,15H2,2-5H3,(H2,29,33)(H,31,34)