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

Systemtic Name: [5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[5-ethyl-1-(p-tolyl)pyrazol-4-yl]methanone CAS Name: [5-ethyl-1-(4-methylphenyl)-4-pyrazolyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[5-ethyl-1-(p-tolyl)pyrazol-4-yl]methanone Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-3-24-23(18-26-29(24)22-12-10-20(2)11-13-22)25(30)28-15-7-14-27(16-17-28)19-21-8-5-4-6-9-21/h4-6,8-13,18H,3,7,14-17,19H2,1-2H3