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

Systemtic Name: [4-[phenethyl-(phenylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[benzyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [1-[oxo(3-pyridinyl)methyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[benzyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[benzyl(phenethyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C30H35N5O2 MolecularWeight: 497.6312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35N5O2/c36-29(26-12-7-14-32-21-26)35-23-27(20-28(35)30(37)33-18-15-31-16-19-33)34(22-25-10-5-2-6-11-25)17-13-24-8-3-1-4-9-24/h1-12,14,21,27-28,31H,13,15-20,22-23H2