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

Systemtic Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Openeye Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1,4-diazepan-1-yl)methanone IUPAC Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[cyclohexylmethyl(phenethyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C30H42N4O2S MolecularWeight: 522.74508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C30H42N4O2S/c35-29(32-17-8-15-31-16-19-32)27-21-26(23-34(27)30(36)28-13-7-20-37-28)33(22-25-11-5-2-6-12-25)18-14-24-9-3-1-4-10-24/h1,3-4,7,9-10,13,20,25-27,31H,2,5-6,8,11-12,14-19,21-23H2