3-[5-[3-(azepin-1-yl)propyl-(naphthalen-1-ylmethyl)amino]-1,2-oxazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[5-[3-(azepin-1-yl)propyl-(naphthalen-1-ylmethyl)amino]-1,2-oxazol-3-yl]benzenecarbonitrile Openeye Name: 3-[5-[3-(azepin-1-yl)propyl-(1-naphthylmethyl)amino]isoxazol-3-yl]benzonitrile CAS Name: 3-[5-[3-(1-azepinyl)propyl-(1-naphthalenylmethyl)amino]-3-isoxazolyl]benzonitrile IUPAC Name: 3-[5-[3-(azepin-1-yl)propyl-(naphthalen-1-ylmethyl)amino]-1,2-oxazol-3-yl]benzonitrile Traditional Name: 3-[5-[3-(azepin-1-yl)propyl-(1-naphthylmethyl)amino]isoxazol-3-yl]benzonitrile Formula: C30H26N4O MolecularWeight: 458.55364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CN(C=C1)CCCN(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1=CC=CN(C=C1)CCCN(CC2=CC=CC3=CC=CC=C32)C4=CC(=NO4)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C30H26N4O/c31-22-24-10-7-13-26(20-24)29-21-30(35-32-29)34(19-9-18-33-16-5-1-2-6-17-33)23-27-14-8-12-25-11-3-4-15-28(25)27/h1-8,10-17,20-21H,9,18-19,23H2