(5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(5-tert-butyl-2-methyl-pyrazol-3-yl)methanone CAS Name: (5-tert-butyl-2-methyl-3-pyrazolyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(5-tert-butyl-2-methylpyrazol-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(5-tert-butyl-2-methyl-pyrazol-3-yl)methanone Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H30N4O/c1-21(2,3)19-15-18(23(4)22-19)20(26)25-12-8-11-24(13-14-25)16-17-9-6-5-7-10-17/h5-7,9-10,15H,8,11-14,16H2,1-4H3