N-[5-[[4-(azepan-1-yl)phenyl]methylcarbamoylamino]isoquinolin-3-yl]ethanamide

Systemtic Name: N-[5-[[4-(azepan-1-yl)phenyl]methylcarbamoylamino]isoquinolin-3-yl]ethanamide Openeye Name: N-[5-[[4-(azepan-1-yl)phenyl]methylcarbamoylamino]-3-isoquinolyl]acetamide CAS Name: N-[5-[[[[4-(1-azepanyl)phenyl]methylamino]-oxomethyl]amino]-3-isoquinolinyl]acetamide IUPAC Name: N-[5-[[4-(azepan-1-yl)phenyl]methylcarbamoylamino]isoquinolin-3-yl]acetamide Traditional Name: N-[5-[[4-(azepan-1-yl)benzyl]carbamoylamino]-3-isoquinolyl]acetamide Formula: C25H29N5O2 MolecularWeight: 431.53006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(=O)NC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H29N5O2/c1-18(31)28-24-15-22-20(17-26-24)7-6-8-23(22)29-25(32)27-16-19-9-11-21(12-10-19)30-13-4-2-3-5-14-30/h6-12,15,17H,2-5,13-14,16H2,1H3,(H,26,28,31)(H2,27,29,32)