1,4-diazepan-1-yl-[4-[2-morpholin-4-ylethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-[2-morpholin-4-ylethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(2-morpholinoethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[4-[2-(4-morpholinyl)ethyl-(phenylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(2-morpholinoethyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C28H39N5O3S MolecularWeight: 525.70596

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCN4CCOCC4)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCN4CCOCC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H39N5O3S/c34-27(31-11-5-9-29-10-12-31)25-20-24(22-33(25)28(35)26-8-4-19-37-26)32(21-23-6-2-1-3-7-23)14-13-30-15-17-36-18-16-30/h1-4,6-8,19,24-25,29H,5,9-18,20-22H2