7-chloranyl-N-(phenylmethyl)-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-chloranyl-N-(phenylmethyl)-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine Openeye Name: N-benzyl-7-chloro-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine CAS Name: 7-chloro-N-(phenylmethyl)-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-benzyl-7-chloro-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine Traditional Name: benzyl-[7-chloro-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-yl]amine Formula: C20H17ClN4 MolecularWeight: 348.82878

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3)NCC4=CC=CC=C4

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3)NCC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4/c21-15-8-9-17-16(11-15)20(18-7-4-10-22-18)24-13-19(25-17)23-12-14-5-2-1-3-6-14/h1-11,22H,12-13H2,(H,23,25)