4-azanyl-N-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(quinolin-6-ylmethylamino)propan-2-yl]butanamide

Systemtic Name: 4-azanyl-N-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(quinolin-6-ylmethylamino)propan-2-yl]butanamide Openeye Name: 4-amino-N-[1-(1H-indol-3-ylmethyl)-2-oxo-2-(6-quinolylmethylamino)ethyl]butanamide CAS Name: 4-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(6-quinolinylmethylamino)propan-2-yl]butanamide IUPAC Name: 4-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(quinolin-6-ylmethylamino)propan-2-yl]butanamide Traditional Name: 4-amino-N-[1-(1H-indol-3-ylmethyl)-2-keto-2-(6-quinolylmethylamino)ethyl]butyramide Formula: C25H27N5O2 MolecularWeight: 429.51418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC3=CC4=C(C=C3)N=CC=C4)NC(=O)CCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC3=CC4=C(C=C3)N=CC=C4)NC(=O)CCCN

InChI

InChI=1S/C25H27N5O2/c26-11-3-8-24(31)30-23(14-19-16-28-22-7-2-1-6-20(19)22)25(32)29-15-17-9-10-21-18(13-17)5-4-12-27-21/h1-2,4-7,9-10,12-13,16,23,28H,3,8,11,14-15,26H2,(H,29,32)(H,30,31)