3-quinolin-3-yl-1-[4-[(E)-3-quinolin-3-ylprop-2-enoyl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-quinolin-3-yl-1-[4-[(E)-3-quinolin-3-ylprop-2-enoyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(3-quinolyl)-1-[4-[(E)-3-(3-quinolyl)prop-2-enoyl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-[(E)-1-oxo-3-(3-quinolinyl)prop-2-enyl]-1,4-diazepan-1-yl]-3-(3-quinolinyl)-1-propanone IUPAC Name: 3-quinolin-3-yl-1-[4-[(E)-3-quinolin-3-ylprop-2-enoyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(3-quinolyl)-1-[4-[(E)-3-(3-quinolyl)acryloyl]-1,4-diazepan-1-yl]propan-1-one Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C=CC2=CC3=CC=CC=C3N=C2)C(=O)CCC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)/C=C/C2=CC3=CC=CC=C3N=C2)C(=O)CCC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C29H28N4O2/c34-28(12-10-22-18-24-6-1-3-8-26(24)30-20-22)32-14-5-15-33(17-16-32)29(35)13-11-23-19-25-7-2-4-9-27(25)31-21-23/h1-4,6-10,12,18-21H,5,11,13-17H2/b12-10+