4-[(2-methyl-4-pyrrolidin-1-yl-quinolin-7-yl)methoxy]-2-nitro-benzenecarbonitrile

Systemtic Name: 4-[(2-methyl-4-pyrrolidin-1-yl-quinolin-7-yl)methoxy]-2-nitro-benzenecarbonitrile Openeye Name: 4-[(2-methyl-4-pyrrolidin-1-yl-7-quinolyl)methoxy]-2-nitro-benzonitrile CAS Name: 4-[[2-methyl-4-(1-pyrrolidinyl)-7-quinolinyl]methoxy]-2-nitrobenzonitrile IUPAC Name: 4-[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methoxy]-2-nitrobenzonitrile Traditional Name: 4-[(2-methyl-4-pyrrolidino-7-quinolyl)methoxy]-2-nitro-benzonitrile Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)COC3=CC(=C(C=C3)C#N)[N+](=O)[O-])C(=C1)N4CCCC4

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)COC3=CC(=C(C=C3)C#N)[N+](=O)[O-])C(=C1)N4CCCC4

InChI

InChI=1S/C22H20N4O3/c1-15-10-22(25-8-2-3-9-25)19-7-4-16(11-20(19)24-15)14-29-18-6-5-17(13-23)21(12-18)26(27)28/h4-7,10-12H,2-3,8-9,14H2,1H3