(NE)-N-[4-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cyclohexyl-2-pyridin-2-yl-butylidene]hydroxylamine

Systemtic Name: (NE)-N-[4-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cyclohexyl-2-pyridin-2-yl-butylidene]hydroxylamine Openeye Name: 4-[4-(benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cyclohexyl-2-(2-pyridyl)butan-1-one oxime CAS Name: 4-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cyclohexyl-2-(2-pyridinyl)-1-butanone oxime IUPAC Name: (NE)-N-[4-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cyclohexyl-2-pyridin-2-ylbutylidene]hydroxylamine Traditional Name: 4-[3-(benzothiophen-7-yl)-2-pyrrolin-1-yl]-1-cyclohexyl-2-(2-pyridyl)butan-1-one oxime Formula: C27H31N3OS MolecularWeight: 445.61954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=NO)C(CCN2CCC(=C2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)/C(=N\O)/C(CCN2CCC(=C2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

InChI

InChI=1S/C27H31N3OS/c31-29-26(20-7-2-1-3-8-20)24(25-11-4-5-15-28-25)13-17-30-16-12-22(19-30)23-10-6-9-21-14-18-32-27(21)23/h4-6,9-11,14-15,18-20,24,31H,1-3,7-8,12-13,16-17H2/b29-26+