2-[4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(4-keto-3-methyl-2-phenyl-chromene-8-carbonyl)piperazino]isonicotinonitrile Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3/c1-18-24(32)21-8-5-9-22(26(21)34-25(18)20-6-3-2-4-7-20)27(33)31-14-12-30(13-15-31)23-16-19(17-28)10-11-29-23/h2-11,16H,12-15H2,1H3