N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-methylphenyl)carbonyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-methylphenyl)carbonyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-methylphenyl)-oxomethyl]-3-pyrrolidinyl]-N-phenethyl-2-thiophenecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-N-phenethylthiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-p-toluoyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Formula: C31H36N4O3S MolecularWeight: 544.70754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C31H36N4O3S/c1-23-10-12-25(13-11-23)29(36)35-22-26(21-27(35)30(37)33-17-6-15-32-16-19-33)34(31(38)28-9-5-20-39-28)18-14-24-7-3-2-4-8-24/h2-5,7-13,20,26-27,32H,6,14-19,21-22H2,1H3