[2-(4-methylpiperazin-1-yl)-6-thiophen-3-yl-pyridin-3-yl]-(4-phenylazepan-1-yl)methanone

Systemtic Name: [2-(4-methylpiperazin-1-yl)-6-thiophen-3-yl-pyridin-3-yl]-(4-phenylazepan-1-yl)methanone Openeye Name: [2-(4-methylpiperazin-1-yl)-6-(3-thienyl)-3-pyridyl]-(4-phenylazepan-1-yl)methanone CAS Name: [2-(4-methyl-1-piperazinyl)-6-(3-thiophenyl)-3-pyridinyl]-(4-phenyl-1-azepanyl)methanone IUPAC Name: [2-(4-methylpiperazin-1-yl)-6-thiophen-3-ylpyridin-3-yl]-(4-phenylazepan-1-yl)methanone Traditional Name: [2-(4-methylpiperazino)-6-(3-thienyl)-3-pyridyl]-(4-phenylazepan-1-yl)methanone Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=N2)C3=CSC=C3)C(=O)N4CCCC(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=N2)C3=CSC=C3)C(=O)N4CCCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4OS/c1-29-15-17-30(18-16-29)26-24(9-10-25(28-26)23-12-19-33-20-23)27(32)31-13-5-8-22(11-14-31)21-6-3-2-4-7-21/h2-4,6-7,9-10,12,19-20,22H,5,8,11,13-18H2,1H3