N-(2-methyl-5-phenyl-pyrazol-3-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-methyl-5-phenyl-pyrazol-3-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methyl-5-phenyl-pyrazol-3-yl)acetamide CAS Name: N-(2-methyl-5-phenyl-3-pyrazolyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methyl-5-phenylpyrazol-3-yl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methyl-5-phenyl-pyrazol-3-yl)acetamide Formula: C24H29N5O MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c1-27-23(17-22(26-27)21-11-6-3-7-12-21)25-24(30)19-29-14-8-13-28(15-16-29)18-20-9-4-2-5-10-20/h2-7,9-12,17H,8,13-16,18-19H2,1H3,(H,25,30)