[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: (4-p-anisyl-1,4-diazepan-1-yl)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone Formula: C28H29N5O2 MolecularWeight: 467.56216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c1-35-25-12-10-22(11-13-25)20-31-15-6-16-32(18-17-31)28(34)26-21-33(24-8-3-2-4-9-24)30-27(26)23-7-5-14-29-19-23/h2-5,7-14,19,21H,6,15-18,20H2,1H3