(3S)-1-(1,7-dipyridin-3-ylheptan-4-yl)-3-[methyl-(phenylmethyl)amino]pyrrolidin-2-one

Systemtic Name: (3S)-1-(1,7-dipyridin-3-ylheptan-4-yl)-3-[methyl-(phenylmethyl)amino]pyrrolidin-2-one Openeye Name: (3S)-3-[benzyl(methyl)amino]-1-[4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl]pyrrolidin-2-one CAS Name: (3S)-1-[1,7-bis(3-pyridinyl)heptan-4-yl]-3-[methyl-(phenylmethyl)amino]-2-pyrrolidinone IUPAC Name: (3S)-3-[benzyl(methyl)amino]-1-(1,7-dipyridin-3-ylheptan-4-yl)pyrrolidin-2-one Traditional Name: (3S)-3-[benzyl(methyl)amino]-1-[4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl]-2-pyrrolidone Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCN(C2=O)C(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCN(C2=O)C(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4

InChI

InChI=1S/C29H36N4O/c1-32(23-26-9-3-2-4-10-26)28-17-20-33(29(28)34)27(15-5-11-24-13-7-18-30-21-24)16-6-12-25-14-8-19-31-22-25/h2-4,7-10,13-14,18-19,21-22,27-28H,5-6,11-12,15-17,20,23H2,1H3/t28-/m0/s1