4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1,4-diazepane-1-carbaldehyde Openeye Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1,4-diazepane-1-carbaldehyde CAS Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1,4-diazepane-1-carbaldehyde Traditional Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1,4-diazepane-1-carbaldehyde Formula: C19H19ClN4O MolecularWeight: 354.83336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)C=O

Isomeric SMILES

C1CN(CCN(C1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)C=O

InChI

InChI=1S/C19H19ClN4O/c20-14-6-7-17-18(12-14)22-19(15-4-1-2-5-16(15)21-17)24-9-3-8-23(13-25)10-11-24/h1-2,4-7,12-13,22H,3,8-11H2