[4-[(4-methylphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[(4-methylphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[phenethyl(p-tolylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(4-methylphenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(4-methylbenzyl)-phenethyl-amino]-1-nicotinoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C31H37N5O2 MolecularWeight: 511.65778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCNCC5

InChI

InChI=1S/C31H37N5O2/c1-24-9-11-26(12-10-24)22-35(17-13-25-6-3-2-4-7-25)28-20-29(31(38)34-18-15-32-16-19-34)36(23-28)30(37)27-8-5-14-33-21-27/h2-12,14,21,28-29,32H,13,15-20,22-23H2,1H3