1-(4-aminophenyl)-3,8-dimethyl-5-(oxan-4-yl)-1,3,4-benzotriazepin-2-one

Systemtic Name: 1-(4-aminophenyl)-3,8-dimethyl-5-(oxan-4-yl)-1,3,4-benzotriazepin-2-one Openeye Name: 1-(4-aminophenyl)-3,8-dimethyl-5-tetrahydropyran-4-yl-1,3,4-benzotriazepin-2-one CAS Name: 1-(4-aminophenyl)-3,8-dimethyl-5-(4-oxanyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 1-(4-aminophenyl)-3,8-dimethyl-5-(oxan-4-yl)-1,3,4-benzotriazepin-2-one Traditional Name: 1-(4-aminophenyl)-3,8-dimethyl-5-tetrahydropyran-4-yl-1,3,4-benzotriazepin-2-one Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)N)C)C4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)N)C)C4CCOCC4

InChI

InChI=1S/C21H24N4O2/c1-14-3-8-18-19(13-14)25(17-6-4-16(22)5-7-17)21(26)24(2)23-20(18)15-9-11-27-12-10-15/h3-8,13,15H,9-12,22H2,1-2H3