3-[3-[(E)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-oxoprop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxoprop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-keto-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-1-enyl]indol-1-yl]propionitrile Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C25H28N4O/c1-27-16-7-12-23(27)24-11-3-2-6-18-29(24)25(30)14-13-20-19-28(17-8-15-26)22-10-5-4-9-21(20)22/h4-5,7,9-10,12-14,16,19,24H,2-3,6,8,11,17-18H2,1H3/b14-13+