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

Systemtic Name: [4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Openeye Name: [4-[cyclohexylmethyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: [4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]-(1,4-diazepan-1-yl)methanone IUPAC Name: [4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[cyclohexylmethyl(2-thenyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C28H39N5O2S MolecularWeight: 509.70656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

Isomeric SMILES

C1CCC(CC1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

InChI

InChI=1S/C28H39N5O2S/c34-27(23-9-4-11-30-18-23)33-20-24(17-26(33)28(35)31-14-6-12-29-13-15-31)32(21-25-10-5-16-36-25)19-22-7-2-1-3-8-22/h4-5,9-11,16,18,22,24,26,29H,1-3,6-8,12-15,17,19-21H2