[4-[cyclohexylmethyl(phenethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone

Systemtic Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Openeye Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]-(1,4-diazepan-1-yl)methanone IUPAC Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C31H43N5O2 MolecularWeight: 517.70542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

Isomeric SMILES

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

InChI

InChI=1S/C31H43N5O2/c37-30(27-13-7-15-33-22-27)36-24-28(21-29(36)31(38)34-18-8-16-32-17-20-34)35(23-26-11-5-2-6-12-26)19-14-25-9-3-1-4-10-25/h1,3-4,7,9-10,13,15,22,26,28-29,32H,2,5-6,8,11-12,14,16-21,23-24H2