[4-(phenylmethyl)-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylphenyl)methanone Formula: C22H24N4O MolecularWeight: 360.45216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c27-22(20-8-10-21(11-9-20)26-15-4-12-23-26)25-14-5-13-24(16-17-25)18-19-6-2-1-3-7-19/h1-4,6-12,15H,5,13-14,16-18H2