4-[[5-[1-methyl-3-(4-methylpiperazin-1-yl)carbonyl-4-naphthalen-1-yl-pyrrol-2-yl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[1-methyl-3-(4-methylpiperazin-1-yl)carbonyl-4-naphthalen-1-yl-pyrrol-2-yl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[1-methyl-3-(4-methylpiperazine-1-carbonyl)-4-(1-naphthyl)pyrrol-2-yl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[1-methyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-4-(1-naphthalenyl)-2-pyrrolyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[1-methyl-3-(4-methylpiperazine-1-carbonyl)-4-naphthalen-1-ylpyrrol-2-yl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[1-methyl-3-(4-methylpiperazine-1-carbonyl)-4-(1-naphthyl)pyrrol-2-yl]imidazol-1-yl]methyl]benzonitrile Formula: C32H30N6O MolecularWeight: 514.6202

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(N(C=C2C3=CC=CC4=CC=CC=C43)C)C5=CN=CN5CC6=CC=C(C=C6)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(N(C=C2C3=CC=CC4=CC=CC=C43)C)C5=CN=CN5CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C32H30N6O/c1-35-14-16-37(17-15-35)32(39)30-28(27-9-5-7-25-6-3-4-8-26(25)27)21-36(2)31(30)29-19-34-22-38(29)20-24-12-10-23(18-33)11-13-24/h3-13,19,21-22H,14-17,20H2,1-2H3