(2-chloranyl-4-pyrazol-1-yl-phenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

Systemtic Name: (2-chloranyl-4-pyrazol-1-yl-phenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone Openeye Name: (2-chloro-4-pyrazol-1-yl-phenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone CAS Name: [2-chloro-4-(1-pyrazolyl)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone IUPAC Name: (2-chloro-4-pyrazol-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone Traditional Name: (2-chloro-4-pyrazol-1-yl-phenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone Formula: C20H18ClN3O MolecularWeight: 351.82942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)C(=O)C3=C(C=C(C=C3)N4C=CC=N4)Cl

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)C(=O)C3=C(C=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C20H18ClN3O/c21-18-14-16(24-13-5-11-22-24)9-10-17(18)20(25)23-12-4-3-7-15-6-1-2-8-19(15)23/h1-2,5-6,8-11,13-14H,3-4,7,12H2