10-[bis(1-oxidanylpropan-2-ylamino)methyl]anthracene-9-carbonitrile hydrochloride

Systemtic Name: 10-[bis(1-oxidanylpropan-2-ylamino)methyl]anthracene-9-carbonitrile hydrochloride Openeye Name: 10-[bis[(2-hydroxy-1-methyl-ethyl)amino]methyl]anthracene-9-carbonitrile hydrochloride CAS Name: 10-[bis(1-hydroxypropan-2-ylamino)methyl]-9-anthracenecarbonitrile hydrochloride IUPAC Name: 10-[bis(1-hydroxypropan-2-ylamino)methyl]anthracene-9-carbonitrile hydrochloride Traditional Name: 10-[bis[(2-hydroxy-1-methyl-ethyl)amino]methyl]anthracene-9-carbonitrile hydrochloride Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC(C1=C2C=CC=CC2=C(C3=CC=CC=C31)C#N)NC(C)CO.Cl

Isomeric SMILES

CC(CO)NC(C1=C2C=CC=CC2=C(C3=CC=CC=C31)C#N)NC(C)CO.Cl

InChI

InChI=1S/C22H25N3O2.ClH/c1-14(12-26)24-22(25-15(2)13-27)21-18-9-5-3-7-16(18)20(11-23)17-8-4-6-10-19(17)21;/h3-10,14-15,22,24-27H,12-13H2,1-2H3;1H