(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-[4-(1-imidazolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(4-imidazol-1-ylphenyl)prop-2-en-1-one Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C24H30N4O2/c29-23(10-7-20-5-8-22(9-6-20)28-18-13-25-19-28)26-16-11-21(12-17-26)24(30)27-14-3-1-2-4-15-27/h5-10,13,18-19,21H,1-4,11-12,14-17H2/b10-7+