4-[1,1-diethoxy-4-(naphthalen-2-ylmethylamino)pentan-3-yl]benzenecarbonitrile

Systemtic Name: 4-[1,1-diethoxy-4-(naphthalen-2-ylmethylamino)pentan-3-yl]benzenecarbonitrile Openeye Name: 4-[3,3-diethoxy-1-[1-(2-naphthylmethylamino)ethyl]propyl]benzonitrile CAS Name: 4-[1,1-diethoxy-4-(2-naphthalenylmethylamino)pentan-3-yl]benzonitrile IUPAC Name: 4-[1,1-diethoxy-4-(naphthalen-2-ylmethylamino)pentan-3-yl]benzonitrile Traditional Name: 4-[3,3-diethoxy-1-[1-(2-naphthylmethylamino)ethyl]propyl]benzonitrile Formula: C27H32N2O2 MolecularWeight: 416.55518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C1=CC=C(C=C1)C#N)C(C)NCC2=CC3=CC=CC=C3C=C2)OCC

Isomeric SMILES

CCOC(CC(C1=CC=C(C=C1)C#N)C(C)NCC2=CC3=CC=CC=C3C=C2)OCC

InChI

InChI=1S/C27H32N2O2/c1-4-30-27(31-5-2)17-26(24-14-10-21(18-28)11-15-24)20(3)29-19-22-12-13-23-8-6-7-9-25(23)16-22/h6-16,20,26-27,29H,4-5,17,19H2,1-3H3