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

Systemtic Name: 1-[(1S)-1-[4-(azepan-1-yl)phenyl]ethyl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[(1S)-1-[4-(azepan-1-yl)phenyl]ethyl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[(1S)-1-[4-(1-azepanyl)phenyl]ethyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[(1S)-1-[4-(azepan-1-yl)phenyl]ethyl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[(1S)-1-[4-(azepan-1-yl)phenyl]ethyl]-3-(3-methyl-5-isoquinolyl)urea Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)N[C@@H](C)C3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H30N4O/c1-18-16-23-21(17-26-18)8-7-9-24(23)28-25(30)27-19(2)20-10-12-22(13-11-20)29-14-5-3-4-6-15-29/h7-13,16-17,19H,3-6,14-15H2,1-2H3,(H2,27,28,30)/t19-/m0/s1