N-[1-[2-oxidanylidene-2-[[(3S)-2-oxidanylideneazepan-3-yl]amino]ethyl]pyrazol-4-yl]-3-phenoxy-propanamide

Systemtic Name: N-[1-[2-oxidanylidene-2-[[(3S)-2-oxidanylideneazepan-3-yl]amino]ethyl]pyrazol-4-yl]-3-phenoxy-propanamide Openeye Name: N-[1-[2-oxo-2-[[(3S)-2-oxoazepan-3-yl]amino]ethyl]pyrazol-4-yl]-3-phenoxy-propanamide CAS Name: N-[1-[2-oxo-2-[[(3S)-2-oxo-3-azepanyl]amino]ethyl]-4-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[1-[2-oxo-2-[[(3S)-2-oxoazepan-3-yl]amino]ethyl]pyrazol-4-yl]-3-phenoxypropanamide Traditional Name: N-[1-[2-keto-2-[[(3S)-2-ketoazepan-3-yl]amino]ethyl]pyrazol-4-yl]-3-phenoxy-propionamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CN2C=C(C=N2)NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)CN2C=C(C=N2)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O4/c26-18(9-11-29-16-6-2-1-3-7-16)23-15-12-22-25(13-15)14-19(27)24-17-8-4-5-10-21-20(17)28/h1-3,6-7,12-13,17H,4-5,8-11,14H2,(H,21,28)(H,23,26)(H,24,27)/t17-/m0/s1