N-but-3-yn-2-yl-1,3-dimethyl-4-phenyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine

Systemtic Name: N-but-3-yn-2-yl-1,3-dimethyl-4-phenyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine Openeye Name: 1,3-dimethyl-N-(1-methylprop-2-ynyl)-4-phenyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine CAS Name: N-but-3-yn-2-yl-1,3-dimethyl-4-phenyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine IUPAC Name: N-but-3-yn-2-yl-1,3-dimethyl-4-phenyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine Traditional Name: (1,3-dimethyl-4-phenyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-yl)-(1-methylprop-2-ynyl)amine Formula: C18H19N5 MolecularWeight: 305.37696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5/c1-5-12(2)20-15-11-19-17(14-9-7-6-8-10-14)16-13(3)22-23(4)18(16)21-15/h1,6-10,12H,11H2,2-4H3,(H,20,21)