3-(2-methylpropyl)-N'-[6-oxidanylidene-5-[(3-phenoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-7-yl]-2-prop-2-enyl-butanediamide

Systemtic Name: 3-(2-methylpropyl)-N'-[6-oxidanylidene-5-[(3-phenoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-7-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-[6-oxo-5-[(3-phenoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-7-yl]butanediamide CAS Name: 3-(2-methylpropyl)-N'-[6-oxo-5-[(3-phenoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-7-yl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-[6-oxo-5-[(3-phenoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-7-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-[6-keto-5-(3-phenoxybenzyl)-7H-benzo[d][1]benzazepin-7-yl]succinamide Formula: C38H39N3O4 MolecularWeight: 601.73396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C38H39N3O4/c1-4-13-32(36(39)42)33(22-25(2)3)37(43)40-35-31-20-9-8-18-29(31)30-19-10-11-21-34(30)41(38(35)44)24-26-14-12-17-28(23-26)45-27-15-6-5-7-16-27/h4-12,14-21,23,25,32-33,35H,1,13,22,24H2,2-3H3,(H2,39,42)(H,40,43)