4-(2-chlorophenyl)-1,3-dimethyl-N-prop-2-ynyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine

Systemtic Name: 4-(2-chlorophenyl)-1,3-dimethyl-N-prop-2-ynyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine Openeye Name: 4-(2-chlorophenyl)-1,3-dimethyl-N-prop-2-ynyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine CAS Name: 4-(2-chlorophenyl)-1,3-dimethyl-N-prop-2-ynyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine IUPAC Name: 4-(2-chlorophenyl)-1,3-dimethyl-N-prop-2-ynyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine Traditional Name: [4-(2-chlorophenyl)-1,3-dimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-yl]-propargyl-amine Formula: C17H16ClN5 MolecularWeight: 325.79544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NCC(=N2)NCC#C)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=NN(C2=C1C(=NCC(=N2)NCC#C)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C17H16ClN5/c1-4-9-19-14-10-20-16(12-7-5-6-8-13(12)18)15-11(2)22-23(3)17(15)21-14/h1,5-8H,9-10H2,2-3H3,(H,19,21)