[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[5-cyclopropyl-1-(o-tolyl)pyrazol-4-yl]methanone CAS Name: [5-cyclopropyl-1-(2-methylphenyl)-4-pyrazolyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[5-cyclopropyl-1-(o-tolyl)pyrazol-4-yl]methanone Formula: C26H30N4O MolecularWeight: 414.5426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C26H30N4O/c1-20-8-5-6-11-24(20)30-25(22-12-13-22)23(18-27-30)26(31)29-15-7-14-28(16-17-29)19-21-9-3-2-4-10-21/h2-6,8-11,18,22H,7,12-17,19H2,1H3