N-[[3-(3-acetamido-4-pyrrolidin-1-yl-phenyl)phenyl]methyl]-N-(3-azanylpropyl)morpholine-4-carboxamide

Systemtic Name: N-[[3-(3-acetamido-4-pyrrolidin-1-yl-phenyl)phenyl]methyl]-N-(3-azanylpropyl)morpholine-4-carboxamide Openeye Name: N-[[3-(3-acetamido-4-pyrrolidin-1-yl-phenyl)phenyl]methyl]-N-(3-aminopropyl)morpholine-4-carboxamide CAS Name: N-[[3-[3-acetamido-4-(1-pyrrolidinyl)phenyl]phenyl]methyl]-N-(3-aminopropyl)-4-morpholinecarboxamide IUPAC Name: N-[[3-(3-acetamido-4-pyrrolidin-1-ylphenyl)phenyl]methyl]-N-(3-aminopropyl)morpholine-4-carboxamide Traditional Name: N-[3-(3-acetamido-4-pyrrolidino-phenyl)benzyl]-N-(3-aminopropyl)morpholine-4-carboxamide Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCCN)C(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCCN)C(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C27H37N5O3/c1-21(33)29-25-19-24(8-9-26(25)30-11-2-3-12-30)23-7-4-6-22(18-23)20-32(13-5-10-28)27(34)31-14-16-35-17-15-31/h4,6-9,18-19H,2-3,5,10-17,20,28H2,1H3,(H,29,33)