N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(4-oxidanylideneazepan-1-yl)benzamide

Systemtic Name: N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(4-oxidanylideneazepan-1-yl)benzamide Openeye Name: N-[5-(4-methylpiperazin-1-yl)chroman-3-yl]-4-(4-oxoazepan-1-yl)benzamide CAS Name: N-[5-(4-methyl-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-3-yl]-4-(4-oxo-1-azepanyl)benzamide IUPAC Name: N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-(4-oxoazepan-1-yl)benzamide Traditional Name: 4-(4-ketoazepan-1-yl)-N-[5-(4-methylpiperazino)chroman-3-yl]benzamide Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3CC(COC3=CC=C2)NC(=O)C4=CC=C(C=C4)N5CCCC(=O)CC5

Isomeric SMILES

CN1CCN(CC1)C2=C3CC(COC3=CC=C2)NC(=O)C4=CC=C(C=C4)N5CCCC(=O)CC5

InChI

InChI=1S/C27H34N4O3/c1-29-14-16-31(17-15-29)25-5-2-6-26-24(25)18-21(19-34-26)28-27(33)20-7-9-22(10-8-20)30-12-3-4-23(32)11-13-30/h2,5-10,21H,3-4,11-19H2,1H3,(H,28,33)