3-dodecyl-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-4-one

Systemtic Name: 3-dodecyl-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-4-one Openeye Name: 3-dodecyl-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-4-one CAS Name: 3-dodecyl-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-4-one IUPAC Name: 3-dodecyl-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-4-one Traditional Name: 3-lauryl-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-4-one Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)CC2=CC(=C(C=C2C(=N1)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)CC2=CC(=C(C=C2C(=N1)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C29H40N2O3/c1-4-5-6-7-8-9-10-11-12-16-19-31-28(32)21-24-20-26(33-2)27(34-3)22-25(24)29(30-31)23-17-14-13-15-18-23/h13-15,17-18,20,22H,4-12,16,19,21H2,1-3H3