[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: (4-p-anisyl-1,4-diazepan-1-yl)-(1-phenylpyrazol-4-yl)methanone Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

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