1-[4-[cyclohexylmethyl(phenethyl)amino]-2-(1,4-diazepan-1-ylcarbonyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[4-[cyclohexylmethyl(phenethyl)amino]-2-(1,4-diazepan-1-ylcarbonyl)pyrrolidin-1-yl]ethanone Openeye Name: 1-[4-[cyclohexylmethyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone CAS Name: 1-[4-[cyclohexylmethyl(phenethyl)amino]-2-[1,4-diazepan-1-yl(oxo)methyl]-1-pyrrolidinyl]ethanone IUPAC Name: 1-[4-[cyclohexylmethyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone Traditional Name: 1-[4-[cyclohexylmethyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidino]ethanone Formula: C27H42N4O2 MolecularWeight: 454.64798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)N2CCCNCC2)N(CCC3=CC=CC=C3)CC4CCCCC4

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)N2CCCNCC2)N(CCC3=CC=CC=C3)CC4CCCCC4

InChI

InChI=1S/C27H42N4O2/c1-22(32)31-21-25(19-26(31)27(33)29-16-8-14-28-15-18-29)30(20-24-11-6-3-7-12-24)17-13-23-9-4-2-5-10-23/h2,4-5,9-10,24-26,28H,3,6-8,11-21H2,1H3