2-[3-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cycloheptyl-propyl]pyridine

Systemtic Name: 2-[3-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cycloheptyl-propyl]pyridine Openeye Name: 2-[3-[4-(benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cycloheptyl-propyl]pyridine CAS Name: 2-[3-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cycloheptylpropyl]pyridine IUPAC Name: 2-[3-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cycloheptylpropyl]pyridine Traditional Name: 2-[3-[3-(benzothiophen-7-yl)-2-pyrrolin-1-yl]-1-cycloheptyl-propyl]pyridine Formula: C27H32N2S MolecularWeight: 416.62138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(CCN2CCC(=C2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CCCC(CC1)C(CCN2CCC(=C2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

InChI

InChI=1S/C27H32N2S/c1-2-4-9-21(8-3-1)24(26-12-5-6-16-28-26)14-18-29-17-13-23(20-29)25-11-7-10-22-15-19-30-27(22)25/h5-7,10-12,15-16,19-21,24H,1-4,8-9,13-14,17-18H2