(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H26N4O MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NNC(=C3)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NNC(=C3)C4CC4

InChI

InChI=1S/C20H26N4O/c1-15-3-5-16(6-4-15)14-23-9-2-10-24(12-11-23)20(25)19-13-18(21-22-19)17-7-8-17/h3-6,13,17H,2,7-12,14H2,1H3,(H,21,22)