[4-[cyclohexylmethyl(cyclopropyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[cyclohexylmethyl(cyclopropyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[cyclohexylmethyl(cyclopropyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[cyclohexylmethyl(cyclopropyl)amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[cyclohexylmethyl(cyclopropyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[cyclohexylmethyl(cyclopropyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4CCCCC4)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4CCCCC4)C5CC5

InChI

InChI=1S/C27H40N4O2/c1-20-7-9-22(10-8-20)26(32)31-19-24(17-25(31)27(33)29-15-13-28-14-16-29)30(23-11-12-23)18-21-5-3-2-4-6-21/h7-10,21,23-25,28H,2-6,11-19H2,1H3