2-[7-chloranyl-1-(4-cyclohexylphenyl)carbonyl-2,3-dihydro-1-benzazepin-5-yl]-1-(4-ethylpiperazin-1-yl)ethanone

Systemtic Name: 2-[7-chloranyl-1-(4-cyclohexylphenyl)carbonyl-2,3-dihydro-1-benzazepin-5-yl]-1-(4-ethylpiperazin-1-yl)ethanone Openeye Name: 2-[7-chloro-1-(4-cyclohexylbenzoyl)-2,3-dihydro-1-benzazepin-5-yl]-1-(4-ethylpiperazin-1-yl)ethanone CAS Name: 2-[7-chloro-1-[(4-cyclohexylphenyl)-oxomethyl]-2,3-dihydro-1-benzazepin-5-yl]-1-(4-ethyl-1-piperazinyl)ethanone IUPAC Name: 2-[7-chloro-1-(4-cyclohexylbenzoyl)-2,3-dihydro-1-benzazepin-5-yl]-1-(4-ethylpiperazin-1-yl)ethanone Traditional Name: 2-[7-chloro-1-(4-cyclohexylbenzoyl)-2,3-dihydro-1-benzazepin-5-yl]-1-(4-ethylpiperazino)ethanone Formula: C31H38ClN3O2 MolecularWeight: 520.10532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CC2=CCCN(C3=C2C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CCN1CCN(CC1)C(=O)CC2=CCCN(C3=C2C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C31H38ClN3O2/c1-2-33-17-19-34(20-18-33)30(36)21-26-9-6-16-35(29-15-14-27(32)22-28(26)29)31(37)25-12-10-24(11-13-25)23-7-4-3-5-8-23/h9-15,22-23H,2-8,16-21H2,1H3