N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine hydrate

Systemtic Name: N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine hydrate Openeye Name: N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine hydrate CAS Name: N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine hydrate IUPAC Name: N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine hydrate Traditional Name: 2-aminoethyl-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)amine hydrate Formula: C38H42N8O3 MolecularWeight: 658.79188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1C=CN=C3NCCN)C4=C(N2)C=CC(=C4)OC.CC1=C2C(=CC3=C1C=CN=C3NCCN)C4=C(N2)C=CC(=C4)OC.O

Isomeric SMILES

CC1=C2C(=CC3=C1C=CN=C3NCCN)C4=C(N2)C=CC(=C4)OC.CC1=C2C(=CC3=C1C=CN=C3NCCN)C4=C(N2)C=CC(=C4)OC.O

InChI

InChI=1S/2C19H20N4O.H2O/c2*1-11-13-5-7-21-19(22-8-6-20)16(13)10-15-14-9-12(24-2)3-4-17(14)23-18(11)15;/h2*3-5,7,9-10,23H,6,8,20H2,1-2H3,(H,21,22);1H2