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

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

Systemtic Name:1-(3-azanylisoquinolin-5-yl)-3-[[4-(azepan-1-yl)phenyl]methyl]urea
Openeye Name:1-(3-amino-5-isoquinolyl)-3-[[4-(azepan-1-yl)phenyl]methyl]urea
CAS Name:1-(3-amino-5-isoquinolinyl)-3-[[4-(1-azepanyl)phenyl]methyl]urea
IUPAC Name:1-(3-aminoisoquinolin-5-yl)-3-[[4-(azepan-1-yl)phenyl]methyl]urea
Traditional Name:1-(3-amino-5-isoquinolyl)-3-[4-(azepan-1-yl)benzyl]urea
Formula: C23H27N5O
MolecularWeight: 389.49338
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=CN=C(C=C43)N


Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=CN=C(C=C43)N


InChI

InChI=1S/C23H27N5O/c24-22-14-20-18(16-25-22)6-5-7-21(20)27-23(29)26-15-17-8-10-19(11-9-17)28-12-3-1-2-4-13-28/h5-11,14,16H,1-4,12-13,15H2,(H2,24,25)(H2,26,27,29)


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