4-(11-azanyl-10H-benzo[d][1,3,6]benzotriazocin-5-yl)-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-(11-azanyl-10H-benzo[d][1,3,6]benzotriazocin-5-yl)-2-chloranyl-benzenecarbonitrile Openeye Name: 4-(11-amino-10H-benzo[d][1,3,6]benzotriazocin-5-yl)-2-chloro-benzonitrile CAS Name: 4-(11-amino-10H-benzo[d][1,3,6]benzotriazocin-5-yl)-2-chlorobenzonitrile IUPAC Name: 4-(11-amino-10H-benzo[d][1,3,6]benzotriazocin-5-yl)-2-chlorobenzonitrile Traditional Name: 4-(11-amino-10H-benzo[d][1,3,6]benzotriazocin-5-yl)-2-chloro-benzonitrile Formula: C20H14ClN5 MolecularWeight: 359.81166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=NC3=CC=CC=C3N2C4=CC(=C(C=C4)C#N)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=NC3=CC=CC=C3N2C4=CC(=C(C=C4)C#N)Cl)N

InChI

InChI=1S/C20H14ClN5/c21-15-11-14(10-9-13(15)12-22)26-18-7-3-1-5-16(18)24-20(23)25-17-6-2-4-8-19(17)26/h1-11H,(H3,23,24,25)