6-[3-[methyl-(phenylmethyl)amino]-2-oxidanyl-propoxy]-2-oxidanylidene-1H-quinoline-3-carbonitrile

Systemtic Name: 6-[3-[methyl-(phenylmethyl)amino]-2-oxidanyl-propoxy]-2-oxidanylidene-1H-quinoline-3-carbonitrile Openeye Name: 6-[3-[benzyl(methyl)amino]-2-hydroxy-propoxy]-2-oxo-1H-quinoline-3-carbonitrile CAS Name: 6-[2-hydroxy-3-[methyl-(phenylmethyl)amino]propoxy]-2-oxo-1H-quinoline-3-carbonitrile IUPAC Name: 6-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]-2-oxo-1H-quinoline-3-carbonitrile Traditional Name: 6-[3-[benzyl(methyl)amino]-2-hydroxy-propoxy]-2-keto-1H-quinoline-3-carbonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC(COC2=CC3=C(C=C2)NC(=O)C(=C3)C#N)O

Isomeric SMILES

CN(CC1=CC=CC=C1)CC(COC2=CC3=C(C=C2)NC(=O)C(=C3)C#N)O

InChI

InChI=1S/C21H21N3O3/c1-24(12-15-5-3-2-4-6-15)13-18(25)14-27-19-7-8-20-16(10-19)9-17(11-22)21(26)23-20/h2-10,18,25H,12-14H2,1H3,(H,23,26)