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

Systemtic Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanyl)phenyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-yl)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O3/c24-21(14-7-17-5-10-20(11-6-17)23(25)26)18-8-12-19(13-9-18)22-15-3-1-2-4-16-22/h5-14H,1-4,15-16H2/b14-7+