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

Systemtic Name: [4-[cyclohexylmethyl(2-methylpropyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Openeye Name: [4-[cyclohexylmethyl(isobutyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: [4-[cyclohexylmethyl(2-methylpropyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]-(1,4-diazepan-1-yl)methanone IUPAC Name: [4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[cyclohexylmethyl(isobutyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C27H43N5O2 MolecularWeight: 469.66262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1CCCCC1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)N4CCCNCC4

Isomeric SMILES

CC(C)CN(CC1CCCCC1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)N4CCCNCC4

InChI

InChI=1S/C27H43N5O2/c1-21(2)18-31(19-22-8-4-3-5-9-22)24-16-25(27(34)30-14-7-12-28-13-15-30)32(20-24)26(33)23-10-6-11-29-17-23/h6,10-11,17,21-22,24-25,28H,3-5,7-9,12-16,18-20H2,1-2H3