3-[2-phenyl-1-[(7-pyrrolidin-1-ylcarbonylquinolin-4-yl)amino]ethyl]benzenecarboximidamide

Systemtic Name: 3-[2-phenyl-1-[(7-pyrrolidin-1-ylcarbonylquinolin-4-yl)amino]ethyl]benzenecarboximidamide Openeye Name: 3-[2-phenyl-1-[[7-(pyrrolidine-1-carbonyl)-4-quinolyl]amino]ethyl]benzamidine CAS Name: 3-[1-[[7-[oxo(1-pyrrolidinyl)methyl]-4-quinolinyl]amino]-2-phenylethyl]benzenecarboximidamide IUPAC Name: 3-[2-phenyl-1-[[7-(pyrrolidine-1-carbonyl)quinolin-4-yl]amino]ethyl]benzenecarboximidamide Traditional Name: 3-[2-phenyl-1-[[7-(pyrrolidine-1-carbonyl)-4-quinolyl]amino]ethyl]benzamidine Formula: C29H29N5O MolecularWeight: 463.57346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=NC=CC(=C3C=C2)NC(CC4=CC=CC=C4)C5=CC=CC(=C5)C(=N)N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=NC=CC(=C3C=C2)NC(CC4=CC=CC=C4)C5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C29H29N5O/c30-28(31)22-10-6-9-21(18-22)26(17-20-7-2-1-3-8-20)33-25-13-14-32-27-19-23(11-12-24(25)27)29(35)34-15-4-5-16-34/h1-3,6-14,18-19,26H,4-5,15-17H2,(H3,30,31)(H,32,33)