3-methoxy-2-[1-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)ethylideneamino]-5-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 3-methoxy-2-[1-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)ethylideneamino]-5-phenylmethoxy-benzenecarbonitrile Openeye Name: 5-benzyloxy-3-methoxy-2-[1-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ethylideneamino]benzonitrile CAS Name: 3-methoxy-2-[1-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]ethylideneamino]-5-phenylmethoxybenzonitrile IUPAC Name: 3-methoxy-2-[1-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ethylideneamino]-5-phenylmethoxybenzonitrile Traditional Name: 5-benzoxy-3-methoxy-2-[1-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ethylideneamino]benzonitrile Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=C(C=C(C=C1C#N)OCC2=CC=CC=C2)OC)N3CCCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

CC(=NC1=C(C=C(C=C1C#N)OCC2=CC=CC=C2)OC)N3CCCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C27H33N5O4/c1-21(30-9-6-10-31(12-11-30)27(33)32-13-15-35-16-14-32)29-26-23(19-28)17-24(18-25(26)34-2)36-20-22-7-4-3-5-8-22/h3-5,7-8,17-18H,6,9-16,20H2,1-2H3