1-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]urea CAS Name: 1-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]urea Traditional Name: 1-benzyl-3-[2-ethyl-3-keto-4-(3-methoxypropyl)-5H-1,4-benzoxazepin-7-yl]urea Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CCCOC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CCCOC

InChI

InChI=1S/C23H29N3O4/c1-3-20-22(27)26(12-7-13-29-2)16-18-14-19(10-11-21(18)30-20)25-23(28)24-15-17-8-5-4-6-9-17/h4-6,8-11,14,20H,3,7,12-13,15-16H2,1-2H3,(H2,24,25,28)