N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine dihydrate

Systemtic Name: N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine dihydrate Openeye Name: N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine dihydrate CAS Name: N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine dihydrate IUPAC Name: N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine dihydrate Traditional Name: 3-aminopropyl-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)amine dihydrate Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1C=CN=C3NCCCN)C4=C(N2)C=CC(=C4)OC.O.O

Isomeric SMILES

CC1=C2C(=CC3=C1C=CN=C3NCCCN)C4=C(N2)C=CC(=C4)OC.O.O

InChI

InChI=1S/C20H22N4O.2H2O/c1-12-14-6-9-23-20(22-8-3-7-21)17(14)11-16-15-10-13(25-2)4-5-18(15)24-19(12)16;;/h4-6,9-11,24H,3,7-8,21H2,1-2H3,(H,22,23);2*1H2