(4R)-2-phenyl-5-phenylazanyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-one

Systemtic Name: (4R)-2-phenyl-5-phenylazanyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-one Openeye Name: (4R)-5-anilino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-one CAS Name: (4R)-5-anilino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-one IUPAC Name: (4R)-5-anilino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-pyrazol-3-one Traditional Name: (4R)-5-anilino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-2-pyrazolin-3-one Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C2C(=NN(C2=O)C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(=NCC1)[C@@H]2C(=NN(C2=O)C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c26-21-19(18-14-8-3-9-15-22-18)20(23-16-10-4-1-5-11-16)24-25(21)17-12-6-2-7-13-17/h1-2,4-7,10-13,19H,3,8-9,14-15H2,(H,23,24)/t19-/m1/s1