1-[[4-(azepan-1-yl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[[4-(azepan-1-yl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[[4-(azepan-1-yl)phenyl]methyl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[[4-(1-azepanyl)phenyl]methyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[[4-(azepan-1-yl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[4-(azepan-1-yl)benzyl]-3-(3-methyl-5-isoquinolyl)urea Formula: C24H28N4O MolecularWeight: 388.50532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C24H28N4O/c1-18-15-22-20(17-25-18)7-6-8-23(22)27-24(29)26-16-19-9-11-21(12-10-19)28-13-4-2-3-5-14-28/h6-12,15,17H,2-5,13-14,16H2,1H3,(H2,26,27,29)