tert-butyl N-[(E)-6-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)hex-4-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(E)-6-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)hex-4-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E)-5-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-1-methyl-pent-3-enyl]carbamate CAS Name: N-[(E)-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)hex-4-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)hex-4-en-2-yl]carbamate Traditional Name: N-[(E)-5-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-1-methyl-pent-3-enyl]carbamic acid tert-butyl ester Formula: C17H31N3O2 MolecularWeight: 309.44694

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CCC1CCCCC(=N1)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C/C=C/CC1CCCCC(=N1)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H31N3O2/c1-13(19-16(21)22-17(2,3)4)9-5-6-10-14-11-7-8-12-15(18)20-14/h5-6,13-14H,7-12H2,1-4H3,(H2,18,20)(H,19,21)/b6-5+