N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl-(phenylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(2-methoxyethyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C28H40N4O3S MolecularWeight: 512.7072

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NCC4CCCC(C4)CN

Isomeric SMILES

COCCN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NCC4CCCC(C4)CN

InChI

InChI=1S/C28H40N4O3S/c1-35-13-12-31(19-21-7-3-2-4-8-21)24-16-25(32(20-24)28(34)26-11-6-14-36-26)27(33)30-18-23-10-5-9-22(15-23)17-29/h2-4,6-8,11,14,22-25H,5,9-10,12-13,15-20,29H2,1H3,(H,30,33)