N-but-3-yn-2-yl-7-chloranyl-3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-but-3-yn-2-yl-7-chloranyl-3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-chloro-3-methyl-N-(1-methylprop-2-ynyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine CAS Name: N-but-3-yn-2-yl-7-chloro-3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-but-3-yn-2-yl-7-chloro-3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine Traditional Name: (7-chloro-3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)-(1-methylprop-2-ynyl)amine Formula: C20H18ClN3 MolecularWeight: 335.83002

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NC(C)C#C

Isomeric SMILES

CC1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NC(C)C#C

InChI

InChI=1S/C20H18ClN3/c1-4-13(2)22-20-14(3)23-19(15-8-6-5-7-9-15)17-12-16(21)10-11-18(17)24-20/h1,5-14H,2-3H3,(H,22,24)