4-[[4-(furan-3-ylmethyl)phenyl]amino]-7-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[[4-(furan-3-ylmethyl)phenyl]amino]-7-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-[4-(3-furylmethyl)anilino]-7-[3-[(3-morpholinopropylamino)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[4-(3-furanylmethyl)anilino]-7-[3-[[3-(4-morpholinyl)propylamino]methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[4-(furan-3-ylmethyl)anilino]-7-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[4-(3-furfuryl)anilino]-7-[3-[(3-morpholinopropylamino)methyl]phenyl]quinoline-3-carbonitrile Formula: C35H35N5O2 MolecularWeight: 557.6847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNCC2=CC=CC(=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC=C(C=C5)CC6=COC=C6)C#N

Isomeric SMILES

C1COCCN1CCCNCC2=CC=CC(=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC=C(C=C5)CC6=COC=C6)C#N

InChI

InChI=1S/C35H35N5O2/c36-22-31-24-38-34-21-30(29-4-1-3-27(20-29)23-37-12-2-13-40-14-17-41-18-15-40)7-10-33(34)35(31)39-32-8-5-26(6-9-32)19-28-11-16-42-25-28/h1,3-11,16,20-21,24-25,37H,2,12-15,17-19,23H2,(H,38,39)