ethyl N-[1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: ethyl N-[1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: ethyl N-[1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methyl-propyl]carbamate CAS Name: N-[1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[2-methyl-1-(4-p-anisyl-1,4-diazepane-1-carbonyl)propyl]carbamic acid ethyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C(C)C)C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)NC(C(C)C)C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H33N3O4/c1-5-28-21(26)22-19(16(2)3)20(25)24-12-6-11-23(13-14-24)15-17-7-9-18(27-4)10-8-17/h7-10,16,19H,5-6,11-15H2,1-4H3,(H,22,26)