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

Systemtic Name: [4-[cyclohexylmethyl(cyclopropyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Openeye Name: [4-[cyclohexylmethyl(cyclopropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: [4-[cyclohexylmethyl(cyclopropyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1,4-diazepan-1-yl)methanone IUPAC Name: [4-[cyclohexylmethyl(cyclopropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[cyclohexylmethyl(cyclopropyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C25H38N4O2S MolecularWeight: 458.65982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(C2CC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

C1CCC(CC1)CN(C2CC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C25H38N4O2S/c30-24(27-13-5-11-26-12-14-27)22-16-21(18-29(22)25(31)23-8-4-15-32-23)28(20-9-10-20)17-19-6-2-1-3-7-19/h4,8,15,19-22,26H,1-3,5-7,9-14,16-18H2