3-methyl-2-(4-propan-2-ylphenyl)-N-[6-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 3-methyl-2-(4-propan-2-ylphenyl)-N-[6-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-(4-isopropylphenyl)-3-methyl-N-[6-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]-3-pyridyl]benzamide CAS Name: 3-methyl-2-(4-propan-2-ylphenyl)-N-[6-[4-(1H-pyrrol-2-ylmethyl)-1-piperazinyl]-3-pyridinyl]benzamide IUPAC Name: 3-methyl-2-(4-propan-2-ylphenyl)-N-[6-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyridin-3-yl]benzamide Traditional Name: 3-methyl-2-p-cumenyl-N-[6-[4-(1H-pyrrol-2-ylmethyl)piperazino]-3-pyridyl]benzamide Formula: C31H35N5O MolecularWeight: 493.6425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CN=C(C=C3)N4CCN(CC4)CC5=CC=CN5

Isomeric SMILES

CC1=CC=CC(=C1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CN=C(C=C3)N4CCN(CC4)CC5=CC=CN5

InChI

InChI=1S/C31H35N5O/c1-22(2)24-9-11-25(12-10-24)30-23(3)6-4-8-28(30)31(37)34-26-13-14-29(33-20-26)36-18-16-35(17-19-36)21-27-7-5-15-32-27/h4-15,20,22,32H,16-19,21H2,1-3H3,(H,34,37)