1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,4-diazepane CAS Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,4-diazepane Traditional Name: 1-benzyl-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,4-diazepane Formula: C29H32N4O MolecularWeight: 452.59058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CN3CCCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CN3CCCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N4O/c1-34-28-15-13-25(14-16-28)29-26(23-33(30-29)27-11-6-3-7-12-27)22-32-18-8-17-31(19-20-32)21-24-9-4-2-5-10-24/h2-7,9-16,23H,8,17-22H2,1H3