(3-propan-2-yloxyphenyl)-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone

Systemtic Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-3-piperidyl]methanone CAS Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]methanone IUPAC Name: (3-propan-2-yloxyphenyl)-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-3-piperidyl]methanone Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCCN(C2)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C25H29N3O2/c1-19(2)30-23-11-5-8-20(16-23)25(29)21-9-6-14-27(17-21)18-22-10-7-15-28(22)24-12-3-4-13-26-24/h3-5,7-8,10-13,15-16,19,21H,6,9,14,17-18H2,1-2H3/t21-/m0/s1