3-[[4-(3-azanylpropanoyl)piperazin-1-yl]methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide

Systemtic Name: 3-[[4-(3-azanylpropanoyl)piperazin-1-yl]methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide Openeye Name: 3-[[4-(3-aminopropanoyl)piperazin-1-yl]methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide CAS Name: 3-[[4-(3-amino-1-oxopropyl)-1-piperazinyl]methyl]-2-phenyl-N-(1-phenylpropyl)-4-quinolinecarboxamide IUPAC Name: 3-[[4-(3-aminopropanoyl)piperazin-1-yl]methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide Traditional Name: 3-[[4-(3-aminopropanoyl)piperazino]methyl]-2-phenyl-N-(1-phenylpropyl)cinchoninamide Formula: C33H37N5O2 MolecularWeight: 535.67918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)CCN

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)CCN

InChI

InChI=1S/C33H37N5O2/c1-2-28(24-11-5-3-6-12-24)36-33(40)31-26-15-9-10-16-29(26)35-32(25-13-7-4-8-14-25)27(31)23-37-19-21-38(22-20-37)30(39)17-18-34/h3-16,28H,2,17-23,34H2,1H3,(H,36,40)