7-(3-imidazol-1-ylpropylamino)-2,3-dimethyl-xanthen-9-one

Systemtic Name: 7-(3-imidazol-1-ylpropylamino)-2,3-dimethyl-xanthen-9-one Openeye Name: 7-(3-imidazol-1-ylpropylamino)-2,3-dimethyl-xanthen-9-one CAS Name: 7-[3-(1-imidazolyl)propylamino]-2,3-dimethyl-9-xanthenone IUPAC Name: 7-(3-imidazol-1-ylpropylamino)-2,3-dimethylxanthen-9-one Traditional Name: 7-(3-imidazol-1-ylpropylamino)-2,3-dimethyl-xanthone Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)NCCCN4C=CN=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)NCCCN4C=CN=C4)C

InChI

InChI=1S/C21H21N3O2/c1-14-10-17-20(11-15(14)2)26-19-5-4-16(12-18(19)21(17)25)23-6-3-8-24-9-7-22-13-24/h4-5,7,9-13,23H,3,6,8H2,1-2H3