(E)-3-[4-(azepan-1-yl)phenyl]-1-(4-cyclopropylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-(4-cyclopropylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-1-[4-(cyclopropanecarbonyl)piperazino]prop-2-en-1-one Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H31N3O2/c27-22(25-15-17-26(18-16-25)23(28)20-8-9-20)12-7-19-5-10-21(11-6-19)24-13-3-1-2-4-14-24/h5-7,10-12,20H,1-4,8-9,13-18H2/b12-7+