[1-(4-fluorophenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [1-(4-fluorophenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[benzyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [1-[(4-fluorophenyl)-oxomethyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[benzyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[benzyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C31H35FN4O2 MolecularWeight: 514.633603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35FN4O2/c32-27-13-11-26(12-14-27)30(37)36-23-28(21-29(36)31(38)34-19-16-33-17-20-34)35(22-25-9-5-2-6-10-25)18-15-24-7-3-1-4-8-24/h1-14,28-29,33H,15-23H2