3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one

Systemtic Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one Openeye Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one CAS Name: 3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-(4-methyl-1,4-diazepan-1-yl)-2-propen-1-one IUPAC Name: 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one Traditional Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C24H25ClN4O MolecularWeight: 420.9345

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1CCCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O/c1-27-14-5-15-28(17-16-27)23(30)13-10-20-18-29(22-6-3-2-4-7-22)26-24(20)19-8-11-21(25)12-9-19/h2-4,6-13,18H,5,14-17H2,1H3