7-chloranyl-1-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-one; heptane

Systemtic Name: 7-chloranyl-1-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-one; heptane Openeye Name: 7-chloro-1-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-one; heptane CAS Name: 7-chloro-1-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-one; heptane IUPAC Name: 7-chloro-1-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-one; heptane Traditional Name: 7-chloro-1-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-one; n-heptane Formula: C21H28ClN3O MolecularWeight: 373.91952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CN3

Isomeric SMILES

CCCCCCC.CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CN3

InChI

InChI=1S/C14H12ClN3O.C7H16/c1-18-12-5-4-9(15)7-10(12)14(17-8-13(18)19)11-3-2-6-16-11;1-3-5-7-6-4-2/h2-7,16H,8H2,1H3;3-7H2,1-2H3