N1,N1-diethyl-N4-(9-methoxy-5-methyl-9H-pyrido[4,3-b]carbazol-1-yl)pentane-1,4-diamine hydrate

Systemtic Name: N1,N1-diethyl-N4-(9-methoxy-5-methyl-9H-pyrido[4,3-b]carbazol-1-yl)pentane-1,4-diamine hydrate Openeye Name: N1,N1-diethyl-N4-(9-methoxy-5-methyl-9H-pyrido[4,3-b]carbazol-1-yl)pentane-1,4-diamine hydrate CAS Name: N1,N1-diethyl-N4-(9-methoxy-5-methyl-9H-pyrido[4,3-b]carbazol-1-yl)pentane-1,4-diamine hydrate IUPAC Name: 1-N,1-N-diethyl-4-N-(9-methoxy-5-methyl-9H-pyrido[4,3-b]carbazol-1-yl)pentane-1,4-diamine hydrate Traditional Name: diethyl-[4-[(9-methoxy-5-methyl-9H-pyrido[4,3-b]carbazol-1-yl)amino]pentyl]amine hydrate Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=NC=CC2=C(C3=C(C=C21)C4=CC(C=CC4=N3)OC)C.O

Isomeric SMILES

CCN(CC)CCCC(C)NC1=NC=CC2=C(C3=C(C=C21)C4=CC(C=CC4=N3)OC)C.O

InChI

InChI=1S/C26H34N4O.H2O/c1-6-30(7-2)14-8-9-17(3)28-26-23-16-22-21-15-19(31-5)10-11-24(21)29-25(22)18(4)20(23)12-13-27-26;/h10-13,15-17,19H,6-9,14H2,1-5H3,(H,27,28);1H2