5-(3-hex-1-ynylphenyl)-8-methoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(3-hex-1-ynylphenyl)-8-methoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(3-hex-1-ynylphenyl)-8-methoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-(3-hex-1-ynylphenyl)-8-methoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(3-hex-1-ynylphenyl)-8-methoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(3-hex-1-ynylphenyl)-8-methoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-2-one Formula: C29H28N2O2 MolecularWeight: 436.54482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CC=C1)C2=NCC(=O)N(C3=C2C=C(C(=C3)OC)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC#CC1=CC(=CC=C1)C2=NCC(=O)N(C3=C2C=C(C(=C3)OC)C4=CC=CC=C4)C

InChI

InChI=1S/C29H28N2O2/c1-4-5-6-8-12-21-13-11-16-23(17-21)29-25-18-24(22-14-9-7-10-15-22)27(33-3)19-26(25)31(2)28(32)20-30-29/h7,9-11,13-19H,4-6,20H2,1-3H3