(4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone CAS Name: (4-methoxy-1-phenyl-3-pyrazolyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)N2CCCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)N2CCCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-29-21-18-27(20-11-6-3-7-12-20)24-22(21)23(28)26-14-8-13-25(15-16-26)17-19-9-4-2-5-10-19/h2-7,9-12,18H,8,13-17H2,1H3