N-[4-[[5-[2-[aminocarbonyl(methyl)amino]-2-oxidanylidene-ethyl]-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[5-[2-[aminocarbonyl(methyl)amino]-2-oxidanylidene-ethyl]-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide Openeye Name: N-[4-[5-[2-[carbamoyl(methyl)amino]-2-oxo-ethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide CAS Name: N-[4-[[5-[2-[carbamoyl(methyl)amino]-2-oxoethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methylphenyl]-2-methylbenzamide IUPAC Name: N-[4-[5-[2-[carbamoyl(methyl)amino]-2-oxoethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide Traditional Name: N-[4-[5-[2-[carbamoyl(methyl)amino]-2-keto-ethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide Formula: C30H31ClN4O4 MolecularWeight: 547.04454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC(=O)N(C)C(=O)N)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC(=O)N(C)C(=O)N)C

InChI

InChI=1S/C30H31ClN4O4/c1-18-7-4-5-9-23(18)28(37)33-22-11-12-24(19(2)15-22)29(38)35-14-6-8-20(16-27(36)34(3)30(32)39)25-17-21(31)10-13-26(25)35/h4-5,7,9-13,15,17,20H,6,8,14,16H2,1-3H3,(H2,32,39)(H,33,37)