N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-pyrazol-1-yl-benzamide

Systemtic Name: N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-pyrazol-1-yl-benzamide Openeye Name: N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-pyrazol-1-yl-benzamide CAS Name: N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-(1-pyrazolyl)benzamide IUPAC Name: N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-pyrazol-1-ylbenzamide Traditional Name: N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]-3-pyrazol-1-yl-benzamide Formula: C29H33N5O MolecularWeight: 467.60522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCN2CCC3=C(CC2)C=C(C=C3)C#N)NC(=O)C4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1CC(CCC1CCN2CCC3=C(CC2)C=C(C=C3)C#N)NC(=O)C4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C29H33N5O/c30-21-23-5-8-24-12-17-33(18-13-25(24)19-23)16-11-22-6-9-27(10-7-22)32-29(35)26-3-1-4-28(20-26)34-15-2-14-31-34/h1-5,8,14-15,19-20,22,27H,6-7,9-13,16-18H2,(H,32,35)