N-[1-[3-(3-azanyl-1,2-benzoxazol-6-yl)phenyl]-2-phenyl-ethyl]quinoline-2-carboxamide

Systemtic Name: N-[1-[3-(3-azanyl-1,2-benzoxazol-6-yl)phenyl]-2-phenyl-ethyl]quinoline-2-carboxamide Openeye Name: N-[1-[3-(3-amino-1,2-benzoxazol-6-yl)phenyl]-2-phenyl-ethyl]quinoline-2-carboxamide CAS Name: N-[1-[3-(3-amino-1,2-benzoxazol-6-yl)phenyl]-2-phenylethyl]-2-quinolinecarboxamide IUPAC Name: N-[1-[3-(3-amino-1,2-benzoxazol-6-yl)phenyl]-2-phenylethyl]quinoline-2-carboxamide Traditional Name: N-[1-[3-(3-aminoindoxazen-6-yl)phenyl]-2-phenyl-ethyl]quinaldamide Formula: C31H24N4O2 MolecularWeight: 484.54786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC(=C2)C3=CC4=C(C=C3)C(=NO4)N)NC(=O)C5=NC6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CC=CC(=C2)C3=CC4=C(C=C3)C(=NO4)N)NC(=O)C5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H24N4O2/c32-30-25-15-13-23(19-29(25)37-35-30)22-10-6-11-24(18-22)28(17-20-7-2-1-3-8-20)34-31(36)27-16-14-21-9-4-5-12-26(21)33-27/h1-16,18-19,28H,17H2,(H2,32,35)(H,34,36)