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

Systemtic Name: N-[4-[[7-chloranyl-5-[2-(1-ethanoylpiperazin-1-ium-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide Openeye Name: N-[4-[5-[2-(1-acetylpiperazin-1-ium-1-yl)ethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide CAS Name: N-[4-[[5-[2-(1-acetyl-1-piperazin-1-iumyl)ethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methylphenyl]-2-methylbenzamide IUPAC Name: N-[4-[5-[2-(1-acetylpiperazin-1-ium-1-yl)ethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide Traditional Name: N-[4-[5-[2-(1-acetylpiperazin-1-ium-1-yl)ethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide Formula: C34H40ClN4O3+ MolecularWeight: 588.1594

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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[N+]5(CCNCC5)C(=O)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC[N+]5(CCNCC5)C(=O)C)C

InChI

InChI=1S/C34H39ClN4O3/c1-23-7-4-5-9-29(23)33(41)37-28-11-12-30(24(2)21-28)34(42)38-17-6-8-26(31-22-27(35)10-13-32(31)38)14-18-39(25(3)40)19-15-36-16-20-39/h4-5,7,9-13,21-22,26,36H,6,8,14-20H2,1-3H3/p+1