N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]cyclopropanecarboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]cyclopropanecarboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]cyclopropanecarboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]cyclopropanecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]cyclopropanecarboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(2-thenoyl)pyrrolidin-3-yl]-N-m-anisyl-cyclopropanecarboxamide Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4)C(=O)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)CN(C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4)C(=O)C5CC5

InChI

InChI=1S/C27H34N4O4S/c1-35-22-6-2-5-19(15-22)17-30(25(32)20-8-9-20)21-16-23(26(33)29-12-4-10-28-11-13-29)31(18-21)27(34)24-7-3-14-36-24/h2-3,5-7,14-15,20-21,23,28H,4,8-13,16-18H2,1H3