butanedioic acid; 7-chloranyl-6-(3,5-dimethylpyrazol-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: butanedioic acid; 7-chloranyl-6-(3,5-dimethylpyrazol-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 7-chloro-6-(3,5-dimethylpyrazol-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine; succinic acid CAS Name: butanedioic acid; 7-chloro-6-(3,5-dimethyl-1-pyrazolyl)-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: butanedioic acid; 7-chloro-6-(3,5-dimethylpyrazol-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 7-chloro-6-(3,5-dimethylpyrazol-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine; succinic acid Formula: C19H24ClN3O4 MolecularWeight: 393.86456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC3=C2CCNCC3)Cl)C.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC3=C2CCNCC3)Cl)C.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C15H18ClN3.C4H6O4/c1-10-9-11(2)19(18-10)15-13-6-8-17-7-5-12(13)3-4-14(15)16;5-3(6)1-2-4(7)8/h3-4,9,17H,5-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8)